SCHEMBL21307662

SCHEMBL21307662

CCOC(=S)SCC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.71
HDAC4 P56524 12/20 0.71
HDAC1 Q13547 12/20 0.71
HDAC7 Q8WUI4 12/20 0.71
HDAC2 Q92769 12/20 0.71
HDAC10 Q969S8 12/20 0.71
HDAC11 Q96DB2 12/20 0.71
HDAC8 Q9BY41 12/20 0.71
HDAC6 Q9UBN7 12/20 0.71
HDAC9 Q9UKV0 12/20 0.71
HDAC5 Q9UQL6 12/20 0.71
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2D6 P10635 1/20 0.59
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19615575 0.87 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10593991 0.84 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19615428 0.84 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15347193 0.83 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19615329 0.81 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8384196 0.78 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL556967 0.77 ALDH1A1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19618979 0.77 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19706228 0.76 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9008172 0.75 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728340-B1 POLYMERIC MATERIALS FORMED USING INITIATORS WITH TWO THIOCARBONYLTHIO-CONTAINING GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-11-15 EP disclosed
US-20210095097-A1 POLYMERIC MATERIALS FORMED USING INITIATORS WITH TWO THIOCARBONYLTHIO-CONTAINING GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2021-04-01 US disclosed
US-10941234-B2 Ketone-containing controlled radical initiators for polymerization reactions 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-03-09 US disclosed
US-20200369820-A1 KETONE-CONTAINING CONTROLLED RADICAL INITIATORS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY 2020-11-26 US disclosed
WO-2019162805-A1 KETONE-CONTAINING CONTROLLED RADICAL INITIATORS FOR POLYMERIZATION REACTIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-08-29 WO disclosed
CN-102898335-A Method for preparing 1-substituted taurine UNIV BEIJING CHEMICAL 2013-01-30 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10941234-B2 Ketone-containing controlled radical initiators for polymerization reactions PCCA, MCCC2, BCKDK HDAC3 2464/4885HDAC4 2739/4885HDAC1 2385/4885
US-20200369820-A1 KETONE-CONTAINING CONTROLLED RADICAL INITIATORS FOR POLYMERIZATION REACTIONS PCCA, MCCC2, BCKDK HDAC3 2464/4885HDAC4 2739/4885HDAC1 2385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.